1-(aminomethyl)-N,3-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]cyclobutane-1-carboxamide

C14H27N3O — CID 80598397

IUPAC1-(aminomethyl)-N,3-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]cyclobutane-1-carboxamide
SMILESCC1CC(CN)(C(=O)N(C)CC2CCN(C)C2)C1
InChIInChI=1S/C14H27N3O/c1-11-6-14(7-11,10-15)13(18)17(3)9-12-4-5-16(2)8-12/h11-12H,4-10,15H2,1-3H3
InChIKeyGXBCPHSVPNMYTE-UHFFFAOYSA-N
MW253.39 g/mol
LogP0.77
Rot. Bonds4

About 1-(aminomethyl)-N,3-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]cyclobutane-1-carboxamide

1-(aminomethyl)-N,3-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]cyclobutane-1-carboxamide (PubChem CID 80598397) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 1-(aminomethyl)-N,3-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N,3-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]cyclobutane-1-carboxamide
PubChem CID80598397
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name1-(aminomethyl)-N,3-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]cyclobutane-1-carboxamide
SMILESCC1CC(CN)(C(=O)N(C)CC2CCN(C)C2)C1
InChIInChI=1S/C14H27N3O/c1-11-6-14(7-11,10-15)13(18)17(3)9-12-4-5-16(2)8-12/h11-12H,4-10,15H2,1-3H3
InChIKeyGXBCPHSVPNMYTE-UHFFFAOYSA-N
XLogP0.77
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]cyclohexane-1-carboxamide
CID 63236819
1-[methyl-[(1-methylpyrrolidin-3-yl)methyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 63275214
1-amino-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]cyclohexane-1-carboxamide
CID 63273710
1-(aminomethyl)-3-methyl-N-(1-methylpyrrolidin-3-yl)cyclobutane-1-carboxamide
CID 80588230
2-[1-(aminomethyl)cyclohexyl]-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]acetamide
CID 104678196
(2R)-2-amino-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
CID 78928409
1-cyano-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]cyclohexane-1-carboxamide
CID 56828911
1-(aminomethyl)-N-(cyclopentylmethyl)-N-methylcyclopropane-1-carboxamide
CID 80598771
methyl N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]carbamate
CID 115612489
1-(aminomethyl)-N-[(1-hydroxycyclopentyl)methyl]-N,3-dimethylcyclobutane-1-carboxamide
CID 114948730
1-(aminomethyl)-N-methyl-N-(1-methylpyrrolidin-3-yl)cyclopropane-1-carboxamide
CID 115182657
1-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]thiourea
CID 63276177

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N,3-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N,3-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]cyclobutane-1-carboxamide (CID 80598397) is 1-(aminomethyl)-N,3-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N,3-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N,3-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]cyclobutane-1-carboxamide is CC1CC(CN)(C(=O)N(C)CC2CCN(C)C2)C1.
What is the InChIKey of 1-(aminomethyl)-N,3-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]cyclobutane-1-carboxamide?
The InChIKey is GXBCPHSVPNMYTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-11-6-14(7-11,10-15)13(18)17(3)9-12-4-5-16(2)8-12/h11-12H,4-10,15H2,1-3H3.
What are the key properties of 1-(aminomethyl)-N,3-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]cyclobutane-1-carboxamide?
1-(aminomethyl)-N,3-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]cyclobutane-1-carboxamide has a molecular weight of 253.39 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N,3-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 80598397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).